(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide

C14H30N6O2 — CID 118011617

IUPAC(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide
SMILESC=C(N)[C@H](CCN)NC(=O)[C@H](CCC)NC(=O)[C@@H](N)CCN
InChIInChI=1S/C14H30N6O2/c1-3-4-12(20-13(21)10(18)5-7-15)14(22)19-11(6-8-16)9(2)17/h10-12H,2-8,15-18H2,1H3,(H,19,22)(H,20,21)/t10-,11-,12-/m0/s1
InChIKeyUJYBJDYERQJNLP-SRVKXCTJSA-N
MW314.43 g/mol
LogP-1.75
Rot. Bonds11

About (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide

(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide (PubChem CID 118011617) has the molecular formula C14H30N6O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide
PubChem CID118011617
Molecular FormulaC14H30N6O2
Molecular Weight314.43 g/mol
Exact Mass314.24
IUPAC Name(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide
SMILESC=C(N)[C@H](CCN)NC(=O)[C@H](CCC)NC(=O)[C@@H](N)CCN
InChIInChI=1S/C14H30N6O2/c1-3-4-12(20-13(21)10(18)5-7-15)14(22)19-11(6-8-16)9(2)17/h10-12H,2-8,15-18H2,1H3,(H,19,22)(H,20,21)/t10-,11-,12-/m0/s1
InChIKeyUJYBJDYERQJNLP-SRVKXCTJSA-N
XLogP-1.75
TPSA162.28 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 5-1.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide?
The IUPAC name of (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide (CID 118011617) is (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide?
The canonical SMILES for (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide is C=C(N)[C@H](CCN)NC(=O)[C@H](CCC)NC(=O)[C@@H](N)CCN.
What is the InChIKey of (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide?
The InChIKey is UJYBJDYERQJNLP-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H30N6O2/c1-3-4-12(20-13(21)10(18)5-7-15)14(22)19-11(6-8-16)9(2)17/h10-12H,2-8,15-18H2,1H3,(H,19,22)(H,20,21)/t10-,11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide?
(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide has a molecular weight of 314.43 g/mol, XLogP of -1.75, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide is sourced from PubChem (CID 118011617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).