(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid

C14H20N2O3 — CID 28785757

IUPAC(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
SMILESCC(C)(C)NC(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16-13(19)15-11(9-12(17)18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m1/s1
InChIKeyNRVRPBKHJVWEHT-LLVKDONJSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds4

About (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid

(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid (PubChem CID 28785757) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
PubChem CID28785757
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
SMILESCC(C)(C)NC(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16-13(19)15-11(9-12(17)18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m1/s1
InChIKeyNRVRPBKHJVWEHT-LLVKDONJSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-1-phenylethyl)-3-tert-butylurea
CID 63767118
3-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61202418
3-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805164
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
CID 62115093
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
4-[[(1S)-3-amino-3-oxo-1-phenylpropyl]carbamoylamino]-2,2-dimethylbutanoic acid
CID 122126630
(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 51925594
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid (CID 28785757) is (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid is CC(C)(C)NC(=O)N[C@H](CC(=O)O)c1ccccc1.
What is the InChIKey of (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid?
The InChIKey is NRVRPBKHJVWEHT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)16-13(19)15-11(9-12(17)18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m1/s1.
What are the key properties of (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid?
(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 28785757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).