[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid

C11H15N3O3 — CID 137464280

IUPAC[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)[C@H](NC(N)=O)c1ccccc1
InChIInChI=1S/C11H15N3O3/c1-7(13-11(16)17)9(14-10(12)15)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,16,17)(H3,12,14,15)/t7-,9+/m1/s1
InChIKeyXFSBCTUSDHJNEZ-APPZFPTMSA-N
MW237.26 g/mol
LogP1.05
Rot. Bonds4

About [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid

[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid (PubChem CID 137464280) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid
PubChem CID137464280
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)[C@H](NC(N)=O)c1ccccc1
InChIInChI=1S/C11H15N3O3/c1-7(13-11(16)17)9(14-10(12)15)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,16,17)(H3,12,14,15)/t7-,9+/m1/s1
InChIKeyXFSBCTUSDHJNEZ-APPZFPTMSA-N
XLogP1.05
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
CID 56956524
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid
CID 174411289
dimethyl 2-[(dimethylcarbamoylamino)-phenylmethyl]propanedioate
CID 10638513
[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid
CID 87713871
(1-chloro-2-phenylpropyl)carbamic acid
CID 70569655
(1-phenylethylamino)urea
CID 3063444
1-phenylbutylurea
CID 2852079
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid (CID 137464280) is [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid is C[C@@H](NC(=O)O)[C@H](NC(N)=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid?
The InChIKey is XFSBCTUSDHJNEZ-APPZFPTMSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(13-11(16)17)9(14-10(12)15)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,16,17)(H3,12,14,15)/t7-,9+/m1/s1.
What are the key properties of [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid?
[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 237.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 137464280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).