(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid

C11H18N2O4 — CID 119244617

IUPAC(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-7(11(16)17)13-9(14)3-2-6-12-10(15)8-4-5-8/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t7-/m1/s1
InChIKeyINTIZTSQSJLFEH-SSDOTTSWSA-N
MW242.27 g/mol
LogP-0.12
Rot. Bonds7

About (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid

(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid (PubChem CID 119244617) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
PubChem CID119244617
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-7(11(16)17)13-9(14)3-2-6-12-10(15)8-4-5-8/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t7-/m1/s1
InChIKeyINTIZTSQSJLFEH-SSDOTTSWSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclopropanecarbonylamino)butanoylamino]butanoic acid
CID 119224160
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
3-[4-(cyclopropanecarbonylamino)butanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219157
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119614975
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
methyl 2-[4-(cyclopropanecarbonylamino)butanoylamino]-2-phenylacetate
CID 60613351
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
N-[4-[[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 99846342

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid (CID 119244617) is (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid is C[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid?
The InChIKey is INTIZTSQSJLFEH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(11(16)17)13-9(14)3-2-6-12-10(15)8-4-5-8/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid?
(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid is sourced from PubChem (CID 119244617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).