(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid

C16H24N2O3 — CID 104591974

IUPAC(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCC(C)c1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-10-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,14-/m1/s1
InChIKeyLTXVGSNMSFHLMR-TYZXPVIJSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds7

About (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid

(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid (PubChem CID 104591974) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
PubChem CID104591974
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCC(C)c1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-10-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,14-/m1/s1
InChIKeyLTXVGSNMSFHLMR-TYZXPVIJSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
3-methyl-2-(2-phenylpropylcarbamoylamino)butanoic acid
CID 103994310
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
(2S)-2-hydroxy-3-(2-phenylpropylcarbamoylamino)propanoic acid
CID 107840975
(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 4019220
(2S)-3-hydroxy-2-(3-phenylbutylcarbamoylamino)propanoic acid
CID 62989102
5-(2-phenylpropylcarbamoylamino)hexanoic acid
CID 104592008
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5,5-diphenylpentanoyl]amino]-4-methylpentanoic acid
CID 51356563

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid (CID 104591974) is (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)NCC(C)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid?
The InChIKey is LTXVGSNMSFHLMR-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-10-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid?
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 104591974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).