2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid

C10H18N2O3 — CID 62696021

IUPAC2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
SMILESCNCCCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-11-6-2-3-8(13)12-9(10(14)15)7-4-5-7/h7,9,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyWHLZJSSSQKWWFY-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.03
Rot. Bonds7

About 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid

2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid (PubChem CID 62696021) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
PubChem CID62696021
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
SMILESCNCCCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-11-6-2-3-8(13)12-9(10(14)15)7-4-5-7/h7,9,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyWHLZJSSSQKWWFY-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.03
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-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid
CID 79400967
2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161586
2-[4-(4-bromophenoxy)butanoylamino]-2-cyclopropylacetic acid
CID 62697266
2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid
CID 119214036
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
3,3-dimethyl-2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161007
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid (CID 62696021) is 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid is CNCCCC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid?
The InChIKey is WHLZJSSSQKWWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11-6-2-3-8(13)12-9(10(14)15)7-4-5-7/h7,9,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid?
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid is sourced from PubChem (CID 62696021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).