2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid

C12H19NO5 — CID 54959338

IUPAC2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC1(CC(=O)O)CCCC1)C(=O)O
InChIInChI=1S/C12H19NO5/c1-8(11(17)18)13-9(14)6-12(7-10(15)16)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyOUDBFCAVNQCVCG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.00
Rot. Bonds6

About 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid

2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid (PubChem CID 54959338) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
PubChem CID54959338
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC1(CC(=O)O)CCCC1)C(=O)O
InChIInChI=1S/C12H19NO5/c1-8(11(17)18)13-9(14)6-12(7-10(15)16)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyOUDBFCAVNQCVCG-UHFFFAOYSA-N
XLogP1.00
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
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2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
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ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
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2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
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2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069840

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid (CID 54959338) is 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid is CC(NC(=O)CC1(CC(=O)O)CCCC1)C(=O)O.
What is the InChIKey of 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid?
The InChIKey is OUDBFCAVNQCVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-8(11(17)18)13-9(14)6-12(7-10(15)16)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid?
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 54959338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).