(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid

C14H20N2O4 — CID 104899000

IUPAC(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
SMILESCC(C)N(CCO)C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(2)16(8-9-17)14(20)15-12(13(18)19)11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,15,20)(H,18,19)/t12-/m0/s1
InChIKeyPPLSDTIQHKSQGY-LBPRGKRZSA-N
MW280.32 g/mol
LogP1.22
Rot. Bonds6

About (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid

(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 104899000) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID104899000
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
SMILESCC(C)N(CCO)C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(2)16(8-9-17)14(20)15-12(13(18)19)11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,15,20)(H,18,19)/t12-/m0/s1
InChIKeyPPLSDTIQHKSQGY-LBPRGKRZSA-N
XLogP1.22
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444788
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
CID 119372250
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444742
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-phenylacetic acid
CID 65227274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid (CID 104899000) is (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid is CC(C)N(CCO)C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is PPLSDTIQHKSQGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)16(8-9-17)14(20)15-12(13(18)19)11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,15,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid?
(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 104899000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).