(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide

C24H52N6O7 — CID 138616287

IUPAC(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
SMILESNCCC[C@H](N)C(=O)NCCCOCCOCCOCCOCCOCCCNC(=O)[C@@H](N)CCCN
InChIInChI=1S/C24H52N6O7/c25-7-1-5-21(27)23(31)29-9-3-11-33-13-15-35-17-19-37-20-18-36-16-14-34-12-4-10-30-24(32)22(28)6-2-8-26/h21-22H,1-20,25-28H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1
InChIKeySRKRKUJVNSMPHZ-VXKWHMMOSA-N
MW536.72 g/mol
LogP-1.79
Rot. Bonds28

About (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide

(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide (PubChem CID 138616287) has the molecular formula C24H52N6O7 and a molecular weight of 536.72 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
PubChem CID138616287
Molecular FormulaC24H52N6O7
Molecular Weight536.72 g/mol
Exact Mass536.39
IUPAC Name(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
SMILESNCCC[C@H](N)C(=O)NCCCOCCOCCOCCOCCOCCCNC(=O)[C@@H](N)CCCN
InChIInChI=1S/C24H52N6O7/c25-7-1-5-21(27)23(31)29-9-3-11-33-13-15-35-17-19-37-20-18-36-16-14-34-12-4-10-30-24(32)22(28)6-2-8-26/h21-22H,1-20,25-28H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1
InChIKeySRKRKUJVNSMPHZ-VXKWHMMOSA-N
XLogP-1.79
TPSA208.43 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 5-1.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-diamino-N-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-diaminohexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 86675712
(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
CID 89199743
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 58954613
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide
CID 155773621
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide (CID 138616287) is (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide is NCCC[C@H](N)C(=O)NCCCOCCOCCOCCOCCOCCCNC(=O)[C@@H](N)CCCN.
What is the InChIKey of (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide?
The InChIKey is SRKRKUJVNSMPHZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H52N6O7/c25-7-1-5-21(27)23(31)29-9-3-11-33-13-15-35-17-19-37-20-18-36-16-14-34-12-4-10-30-24(32)22(28)6-2-8-26/h21-22H,1-20,25-28H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide?
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide has a molecular weight of 536.72 g/mol, XLogP of -1.79, 28 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide is sourced from PubChem (CID 138616287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).