(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid

C15H21NO5 — CID 69435084

IUPAC(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(C)N(C(=O)OCc1ccccc1)[C@H](CO)C(=O)O
InChIInChI=1S/C15H21NO5/c1-15(2,3)16(12(9-17)13(18)19)14(20)21-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyFFJJGAZULDDTHI-GFCCVEGCSA-N
MW295.33 g/mol
LogP1.87
Rot. Bonds5

About (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid

(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 69435084) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
PubChem CID69435084
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(C)N(C(=O)OCc1ccccc1)[C@H](CO)C(=O)O
InChIInChI=1S/C15H21NO5/c1-15(2,3)16(12(9-17)13(18)19)14(20)21-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyFFJJGAZULDDTHI-GFCCVEGCSA-N
XLogP1.87
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid
CID 154027617
benzyl N-tert-butyl-N-[(2R)-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 57150767
(4-nitrophenyl)methyl (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 95048951
benzyl acetate
CID 8785
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 174145351
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 11101928
benzyl N,N-dimethylcarbamate
CID 12963450
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70470056

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid (CID 69435084) is (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid is CC(C)(C)N(C(=O)OCc1ccccc1)[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is FFJJGAZULDDTHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)16(12(9-17)13(18)19)14(20)21-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 69435084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).