4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid

C19H28N2O4 — CID 122028067

IUPAC4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(C(=O)NC(CCC(=O)O)Cc1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H28N2O4/c1-21(16-9-5-6-10-17(16)22)19(25)20-15(11-12-18(23)24)13-14-7-3-2-4-8-14/h2-4,7-8,15-17,22H,5-6,9-13H2,1H3,(H,20,25)(H,23,24)/t15?,16-,17-/m1/s1
InChIKeyYZNWDXVDAHVEFR-YJEKIOLLSA-N
MW348.44 g/mol
LogP2.41
Rot. Bonds7

About 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid

4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122028067) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122028067
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(C(=O)NC(CCC(=O)O)Cc1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H28N2O4/c1-21(16-9-5-6-10-17(16)22)19(25)20-15(11-12-18(23)24)13-14-7-3-2-4-8-14/h2-4,7-8,15-17,22H,5-6,9-13H2,1H3,(H,20,25)(H,23,24)/t15?,16-,17-/m1/s1
InChIKeyYZNWDXVDAHVEFR-YJEKIOLLSA-N
XLogP2.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
4-[[(3-methoxyspiro[3.3]heptan-1-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027453
4-[[methyl-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027852
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
4-[[methyl-[2-(oxan-4-yl)ethyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027689
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027220
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid (CID 122028067) is 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid is CN(C(=O)NC(CCC(=O)O)Cc1ccccc1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is YZNWDXVDAHVEFR-YJEKIOLLSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-21(16-9-5-6-10-17(16)22)19(25)20-15(11-12-18(23)24)13-14-7-3-2-4-8-14/h2-4,7-8,15-17,22H,5-6,9-13H2,1H3,(H,20,25)(H,23,24)/t15?,16-,17-/m1/s1.
What are the key properties of 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).