2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid

C13H22N2O3 — CID 61162082

IUPAC2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CNCC1CC1)C1CCCC1
InChIInChI=1S/C13H22N2O3/c16-12(8-14-7-10-5-6-10)15(9-13(17)18)11-3-1-2-4-11/h10-11,14H,1-9H2,(H,17,18)
InChIKeyBCCVLTDDPWDLDJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds7

About 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid

2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid (PubChem CID 61162082) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid
PubChem CID61162082
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CNCC1CC1)C1CCCC1
InChIInChI=1S/C13H22N2O3/c16-12(8-14-7-10-5-6-10)15(9-13(17)18)11-3-1-2-4-11/h10-11,14H,1-9H2,(H,17,18)
InChIKeyBCCVLTDDPWDLDJ-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid 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

2-[cyclopentyl-[2-(cyclopropylamino)acetyl]amino]acetic acid
CID 61161688
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
N-cyclopentyl-2-(cyclopropylmethylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 119821530
2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
CID 60825422
2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid
CID 79854894
4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473494
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-cyclopropyl-N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]acetamide
CID 66006581
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid (CID 61162082) is 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid is O=C(O)CN(C(=O)CNCC1CC1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid?
The InChIKey is BCCVLTDDPWDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(8-14-7-10-5-6-10)15(9-13(17)18)11-3-1-2-4-11/h10-11,14H,1-9H2,(H,17,18).
What are the key properties of 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid?
2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 61162082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).