(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide

C9H21N3O3 — CID 89199743

IUPAC(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
SMILESNCCC[C@H](N)C(=O)NCCOCCO
InChIInChI=1S/C9H21N3O3/c10-3-1-2-8(11)9(14)12-4-6-15-7-5-13/h8,13H,1-7,10-11H2,(H,12,14)/t8-/m0/s1
InChIKeyMKSRNRYMPIJMHE-QMMMGPOBSA-N
MW219.28 g/mol
LogP-1.82
Rot. Bonds9

About (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide

(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide (PubChem CID 89199743) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
PubChem CID89199743
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
SMILESNCCC[C@H](N)C(=O)NCCOCCO
InChIInChI=1S/C9H21N3O3/c10-3-1-2-8(11)9(14)12-4-6-15-7-5-13/h8,13H,1-7,10-11H2,(H,12,14)/t8-/m0/s1
InChIKeyMKSRNRYMPIJMHE-QMMMGPOBSA-N
XLogP-1.82
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 58954613
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
CID 135228994
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
2-amino-N-[2-(2-hydroxyethoxy)ethyl]pent-4-ynamide
CID 115563193

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide (CID 89199743) is (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide is NCCC[C@H](N)C(=O)NCCOCCO.
What is the InChIKey of (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide?
The InChIKey is MKSRNRYMPIJMHE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21N3O3/c10-3-1-2-8(11)9(14)12-4-6-15-7-5-13/h8,13H,1-7,10-11H2,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide?
(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide has a molecular weight of 219.28 g/mol, XLogP of -1.82, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide is sourced from PubChem (CID 89199743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).