2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid

C12H20N2O5 — CID 55244223

IUPAC2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)NC1CCCC1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O5/c1-8(12(19)13-9-4-2-3-5-9)14(6-10(15)16)7-11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyUEIJVUJJLLEMOT-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.10
Rot. Bonds7

About 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 55244223) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID55244223
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)NC1CCCC1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O5/c1-8(12(19)13-9-4-2-3-5-9)14(6-10(15)16)7-11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyUEIJVUJJLLEMOT-UHFFFAOYSA-N
XLogP-0.10
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968957
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopentylpropanamide
CID 79667958
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 55244223) is 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C(=O)NC1CCCC1)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is UEIJVUJJLLEMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(12(19)13-9-4-2-3-5-9)14(6-10(15)16)7-11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 55244223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).