[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate

C11H19N3O4 — CID 54020554

IUPAC[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)OC(=O)C1(N)CCC1
InChIInChI=1S/C11H19N3O4/c1-6(12)8(15)14-7(2)9(16)18-10(17)11(13)4-3-5-11/h6-7H,3-5,12-13H2,1-2H3,(H,14,15)/t6-,7-/m0/s1
InChIKeyKYQDHOKHDFNWTI-BQBZGAKWSA-N
MW257.29 g/mol
LogP-1.21
Rot. Bonds4

About [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate

[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate (PubChem CID 54020554) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate
PubChem CID54020554
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)OC(=O)C1(N)CCC1
InChIInChI=1S/C11H19N3O4/c1-6(12)8(15)14-7(2)9(16)18-10(17)11(13)4-3-5-11/h6-7H,3-5,12-13H2,1-2H3,(H,14,15)/t6-,7-/m0/s1
InChIKeyKYQDHOKHDFNWTI-BQBZGAKWSA-N
XLogP-1.21
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169291
[(2S)-2-[[(2S)-2-[ethyl(phenylmethoxycarbonyl)amino]propanoyl]amino]propanoyl] 1-aminocyclohexane-1-carboxylate
CID 139673589
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
tert-butyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
CID 130736337
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate?
The IUPAC name of [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate (CID 54020554) is [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate.
What is the SMILES notation for [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate?
The canonical SMILES for [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate is C[C@H](N)C(=O)N[C@@H](C)C(=O)OC(=O)C1(N)CCC1.
What is the InChIKey of [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate?
The InChIKey is KYQDHOKHDFNWTI-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(12)8(15)14-7(2)9(16)18-10(17)11(13)4-3-5-11/h6-7H,3-5,12-13H2,1-2H3,(H,14,15)/t6-,7-/m0/s1.
What are the key properties of [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate?
[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl] 1-aminocyclobutane-1-carboxylate is sourced from PubChem (CID 54020554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).