(2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide

C10H23N5O2 — CID 101363274

IUPAC(2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide
SMILESNCCCNCCCNC(=O)C[C@H](N)C(N)=O
InChIInChI=1S/C10H23N5O2/c11-3-1-4-14-5-2-6-15-9(16)7-8(12)10(13)17/h8,14H,1-7,11-12H2,(H2,13,17)(H,15,16)/t8-/m0/s1
InChIKeyWCIOEZXMUAICLX-QMMMGPOBSA-N
MW245.33 g/mol
LogP-2.37
Rot. Bonds10

About (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide

(2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide (PubChem CID 101363274) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide
PubChem CID101363274
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC Name(2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide
SMILESNCCCNCCCNC(=O)C[C@H](N)C(N)=O
InChIInChI=1S/C10H23N5O2/c11-3-1-4-14-5-2-6-15-9(16)7-8(12)10(13)17/h8,14H,1-7,11-12H2,(H2,13,17)(H,15,16)/t8-/m0/s1
InChIKeyWCIOEZXMUAICLX-QMMMGPOBSA-N
XLogP-2.37
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
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-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
N'-[3-(3-aminopropylamino)propyl]oxamide
CID 71347825
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2-amino-5-[3-(4-aminobutylamino)propylamino]-5-oxopentanoic acid
CID 54491991
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
CID 59104625
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide?
The IUPAC name of (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide (CID 101363274) is (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide.
What is the SMILES notation for (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide?
The canonical SMILES for (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide is NCCCNCCCNC(=O)C[C@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide?
The InChIKey is WCIOEZXMUAICLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H23N5O2/c11-3-1-4-14-5-2-6-15-9(16)7-8(12)10(13)17/h8,14H,1-7,11-12H2,(H2,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide?
(2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide has a molecular weight of 245.33 g/mol, XLogP of -2.37, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide is sourced from PubChem (CID 101363274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).