(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid

C15H22N2O3 — CID 61465982

IUPAC(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCCC(C)C(C)NC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-10(2)11(3)16-15(20)17-13(14(18)19)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,18,19)(H2,16,17,20)/t10?,11?,13-/m1/s1
InChIKeyJZXJXKWKILVLJL-GCZXYKMCSA-N
MW278.35 g/mol
LogP2.55
Rot. Bonds6

About (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid

(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid (PubChem CID 61465982) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
PubChem CID61465982
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCCC(C)C(C)NC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-10(2)11(3)16-15(20)17-13(14(18)19)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,18,19)(H2,16,17,20)/t10?,11?,13-/m1/s1
InChIKeyJZXJXKWKILVLJL-GCZXYKMCSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 103998243
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 63927354
(2S)-2-(pent-1-yn-3-ylcarbamoylamino)-2-phenylacetic acid
CID 106232134
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
CID 119367809
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777
(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid (CID 61465982) is (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid is CCC(C)C(C)NC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is JZXJXKWKILVLJL-GCZXYKMCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-10(2)11(3)16-15(20)17-13(14(18)19)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,18,19)(H2,16,17,20)/t10?,11?,13-/m1/s1.
What are the key properties of (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid?
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61465982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).