3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid

C12H20N2O5 — CID 82327406

IUPAC3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)CC(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O5/c15-10(13-9-3-1-2-4-9)7-14(8-12(18)19)6-5-11(16)17/h9H,1-8H2,(H,13,15)(H,16,17)(H,18,19)
InChIKeyLFEQAUXGSHKOKF-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.09
Rot. Bonds8

About 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid

3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 82327406) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID82327406
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)CC(=O)NC1CCCC1
InChIInChI=1S/C12H20N2O5/c15-10(13-9-3-1-2-4-9)7-14(8-12(18)19)6-5-11(16)17/h9H,1-8H2,(H,13,15)(H,16,17)(H,18,19)
InChIKeyLFEQAUXGSHKOKF-UHFFFAOYSA-N
XLogP-0.09
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
CID 82326965
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656450
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 62626506
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid (CID 82327406) is 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid is O=C(O)CCN(CC(=O)O)CC(=O)NC1CCCC1.
What is the InChIKey of 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is LFEQAUXGSHKOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-10(13-9-3-1-2-4-9)7-14(8-12(18)19)6-5-11(16)17/h9H,1-8H2,(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid?
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82327406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).