4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid

C16H24N2O4 — CID 122027582

IUPAC4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
SMILESC[C@@H](O)CN(C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-12(19)11-18(2)16(22)17-14(8-9-15(20)21)10-13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3,(H,17,22)(H,20,21)/t12-,14?/m1/s1
InChIKeyCKOWSXUKYWASQR-PUODRLBUSA-N
MW308.38 g/mol
LogP1.48
Rot. Bonds8

About 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid

4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027582) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027582
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
SMILESC[C@@H](O)CN(C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-12(19)11-18(2)16(22)17-14(8-9-15(20)21)10-13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3,(H,17,22)(H,20,21)/t12-,14?/m1/s1
InChIKeyCKOWSXUKYWASQR-PUODRLBUSA-N
XLogP1.48
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[[[3-(dimethylamino)phenyl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027640
4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027344
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028340
4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027340
2-methyl-3-[methyl(1-phenylpentan-2-ylcarbamoyl)amino]propanoic acid
CID 122000555
4-[[(4-cyanophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027296
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid (CID 122027582) is 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid is C[C@@H](O)CN(C)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is CKOWSXUKYWASQR-PUODRLBUSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(19)11-18(2)16(22)17-14(8-9-15(20)21)10-13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3,(H,17,22)(H,20,21)/t12-,14?/m1/s1.
What are the key properties of 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid?
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).