(2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid

C19H26N2O6 — CID 16718660

IUPAC(2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid
SMILESO=C(O)[C@H](CCc1ccccc1)NC1(C(=O)NC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C19H26N2O6/c22-15(17(25)26)12-20-18(27)19(10-4-5-11-19)21-14(16(23)24)9-8-13-6-2-1-3-7-13/h1-3,6-7,14-15,21-22H,4-5,8-12H2,(H,20,27)(H,23,24)(H,25,26)/t14-,15-/m0/s1
InChIKeySUHQJIHVEZQVJF-GJZGRUSLSA-N
MW378.43 g/mol
LogP0.54
Rot. Bonds10

About (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid

(2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid (PubChem CID 16718660) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid
PubChem CID16718660
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name(2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid
SMILESO=C(O)[C@H](CCc1ccccc1)NC1(C(=O)NC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C19H26N2O6/c22-15(17(25)26)12-20-18(27)19(10-4-5-11-19)21-14(16(23)24)9-8-13-6-2-1-3-7-13/h1-3,6-7,14-15,21-22H,4-5,8-12H2,(H,20,27)(H,23,24)(H,25,26)/t14-,15-/m0/s1
InChIKeySUHQJIHVEZQVJF-GJZGRUSLSA-N
XLogP0.54
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid?
The IUPAC name of (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid (CID 16718660) is (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid is O=C(O)[C@H](CCc1ccccc1)NC1(C(=O)NC[C@H](O)C(=O)O)CCCC1.
What is the InChIKey of (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid?
The InChIKey is SUHQJIHVEZQVJF-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H26N2O6/c22-15(17(25)26)12-20-18(27)19(10-4-5-11-19)21-14(16(23)24)9-8-13-6-2-1-3-7-13/h1-3,6-7,14-15,21-22H,4-5,8-12H2,(H,20,27)(H,23,24)(H,25,26)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid?
(2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid has a molecular weight of 378.43 g/mol, XLogP of 0.54, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 16718660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).