(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide

C13H20N2O2 — CID 131854794

IUPAC(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](N)COCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-8-15-13(16)12(14)10-17-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMXCFUDZSCXQJGT-LBPRGKRZSA-N
MW236.31 g/mol
LogP1.06
Rot. Bonds7

About (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide

(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide (PubChem CID 131854794) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
PubChem CID131854794
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](N)COCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-8-15-13(16)12(14)10-17-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMXCFUDZSCXQJGT-LBPRGKRZSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
CID 119304384
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
2-amino-N-(1-phenylmethoxypropan-2-yl)pentanamide;hydrochloride
CID 119335294
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
methyl (2S)-2-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 10672089
ethyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate
CID 139802000
2-amino-N-benzylpentanamide
CID 11020044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide?
The IUPAC name of (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide (CID 131854794) is (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide?
The canonical SMILES for (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide is CCCNC(=O)[C@@H](N)COCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide?
The InChIKey is MXCFUDZSCXQJGT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-8-15-13(16)12(14)10-17-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide?
(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylmethoxy-N-propylpropanamide is sourced from PubChem (CID 131854794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).