2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid

C10H17N3O4 — CID 61162344

IUPAC2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(N)CC(N)=O)(C(=O)O)C1CC1
InChIInChI=1S/C10H17N3O4/c1-10(9(16)17,5-2-3-5)13-8(15)6(11)4-7(12)14/h5-6H,2-4,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyJRRZCFDJRHKSKO-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.44
Rot. Bonds6

About 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid

2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid (PubChem CID 61162344) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
PubChem CID61162344
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(N)CC(N)=O)(C(=O)O)C1CC1
InChIInChI=1S/C10H17N3O4/c1-10(9(16)17,5-2-3-5)13-8(15)6(11)4-7(12)14/h5-6H,2-4,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyJRRZCFDJRHKSKO-UHFFFAOYSA-N
XLogP-1.44
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103513145
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CID 115910047
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2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide
CID 106187946
2-cyclopropyl-2-(cyclopropylamino)propanoic acid
CID 43754464
2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid
CID 79812599
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid (CID 61162344) is 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid is CC(NC(=O)C(N)CC(N)=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid?
The InChIKey is JRRZCFDJRHKSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-10(9(16)17,5-2-3-5)13-8(15)6(11)4-7(12)14/h5-6H,2-4,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid?
2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid is sourced from PubChem (CID 61162344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).