2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide

C9H18N4O3 — CID 11949429

IUPAC2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
SMILESC[C@H](NC(=O)C(N)CN)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C9H18N4O3/c1-5(4-14)12-8(15)6(2)13-9(16)7(11)3-10/h4-7H,3,10-11H2,1-2H3,(H,12,15)(H,13,16)/t5-,6-,7?/m0/s1
InChIKeyLOPVYLSJXBTFER-WABBHOIFSA-N
MW230.27 g/mol
LogP-2.52
Rot. Bonds6

About 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide

2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide (PubChem CID 11949429) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
PubChem CID11949429
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
SMILESC[C@H](NC(=O)C(N)CN)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C9H18N4O3/c1-5(4-14)12-8(15)6(2)13-9(16)7(11)3-10/h4-7H,3,10-11H2,1-2H3,(H,12,15)(H,13,16)/t5-,6-,7?/m0/s1
InChIKeyLOPVYLSJXBTFER-WABBHOIFSA-N
XLogP-2.52
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide with MolForge

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
CID 163702587
2-acetamido-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 173042911
(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 11949297
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxy-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 25203952
(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride
CID 11949294
2,3-diamino-N-propan-2-ylpropanamide
CID 166956225
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
CID 142449079
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 102515548
sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride
CID 174273902
(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
CID 88560908

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
The IUPAC name of 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide (CID 11949429) is 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide.
What is the SMILES notation for 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
The canonical SMILES for 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide is C[C@H](NC(=O)C(N)CN)C(=O)N[C@@H](C)C=O.
What is the InChIKey of 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
The InChIKey is LOPVYLSJXBTFER-WABBHOIFSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-5(4-14)12-8(15)6(2)13-9(16)7(11)3-10/h4-7H,3,10-11H2,1-2H3,(H,12,15)(H,13,16)/t5-,6-,7?/m0/s1.
What are the key properties of 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide?
2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide has a molecular weight of 230.27 g/mol, XLogP of -2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 11949429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).