2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid

C14H24N2O4 — CID 119193420

IUPAC2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)8-16(9-13(18)19)12(17)4-3-7-15-14(20)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyMQONIVFMWFSCFL-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds9

About 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid

2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 119193420) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid
PubChem CID119193420
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)8-16(9-13(18)19)12(17)4-3-7-15-14(20)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyMQONIVFMWFSCFL-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
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)butanoyl-ethylamino]acetic acid
CID 119206541
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871
2-[4-[(4-chlorobenzoyl)amino]butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193162
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 109388484
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
CID 119193019
2-[2-methylpropyl(4-methylsulfanylbutanoyl)amino]acetic acid
CID 115909757
2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 55148404
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
CID 119244617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid (CID 119193420) is 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCCNC(=O)C1CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is MQONIVFMWFSCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)8-16(9-13(18)19)12(17)4-3-7-15-14(20)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid?
2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).