[(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid

C14H21N3O3 — CID 139450680

IUPAC[(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid
SMILESCN(C)[C@H](Cc1ccccc1)CC(NC(=O)O)C(N)=O
InChIInChI=1S/C14H21N3O3/c1-17(2)11(8-10-6-4-3-5-7-10)9-12(13(15)18)16-14(19)20/h3-7,11-12,16H,8-9H2,1-2H3,(H2,15,18)(H,19,20)/t11-,12?/m1/s1
InChIKeyWRUBMAZGLXQYOQ-JHJMLUEUSA-N
MW279.34 g/mol
LogP0.67
Rot. Bonds7

About [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid

[(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid (PubChem CID 139450680) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid
PubChem CID139450680
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid
SMILESCN(C)[C@H](Cc1ccccc1)CC(NC(=O)O)C(N)=O
InChIInChI=1S/C14H21N3O3/c1-17(2)11(8-10-6-4-3-5-7-10)9-12(13(15)18)16-14(19)20/h3-7,11-12,16H,8-9H2,1-2H3,(H2,15,18)(H,19,20)/t11-,12?/m1/s1
InChIKeyWRUBMAZGLXQYOQ-JHJMLUEUSA-N
XLogP0.67
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
[(2S)-1-(dimethylamino)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 167060741
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 10168344
2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylpentanamide
CID 14703982
(4R)-2-benzyl-4-(carboxyamino)pentanedioic acid
CID 18594451
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
[(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid
CID 67417487
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
CID 134827658
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584

Frequently Asked Questions

What is the IUPAC name of [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The IUPAC name of [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid (CID 139450680) is [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The canonical SMILES for [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid is CN(C)[C@H](Cc1ccccc1)CC(NC(=O)O)C(N)=O.
What is the InChIKey of [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The InChIKey is WRUBMAZGLXQYOQ-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)11(8-10-6-4-3-5-7-10)9-12(13(15)18)16-14(19)20/h3-7,11-12,16H,8-9H2,1-2H3,(H2,15,18)(H,19,20)/t11-,12?/m1/s1.
What are the key properties of [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid?
[(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid has a molecular weight of 279.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid is sourced from PubChem (CID 139450680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).