(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide

C14H23N3O3S — CID 63865578

IUPAC(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)(CNC(=O)[C@H](N)Cc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-14(2,17-21(3,19)20)10-16-13(18)12(15)9-11-7-5-4-6-8-11/h4-8,12,17H,9-10,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyQLSIHBBNPYXWAK-GFCCVEGCSA-N
MW313.42 g/mol
LogP0.00
Rot. Bonds7

About (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide

(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide (PubChem CID 63865578) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
PubChem CID63865578
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)(CNC(=O)[C@H](N)Cc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-14(2,17-21(3,19)20)10-16-13(18)12(15)9-11-7-5-4-6-8-11/h4-8,12,17H,9-10,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyQLSIHBBNPYXWAK-GFCCVEGCSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide
CID 119877877
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
bis[3-[(2-amino-3-phenylpropanoyl)amino]-2,2-dimethylpropyl] propane-1,3-disulfonate
CID 123495976
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide (CID 63865578) is (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide is CC(C)(CNC(=O)[C@H](N)Cc1ccccc1)NS(C)(=O)=O.
What is the InChIKey of (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide?
The InChIKey is QLSIHBBNPYXWAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,17-21(3,19)20)10-16-13(18)12(15)9-11-7-5-4-6-8-11/h4-8,12,17H,9-10,15H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide?
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide has a molecular weight of 313.42 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide is sourced from PubChem (CID 63865578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).