(4S)-4-amino-5-phenylmethoxypentanamide

C12H18N2O2 — CID 90463454

IUPAC(4S)-4-amino-5-phenylmethoxypentanamide
SMILESNC(=O)CC[C@H](N)COCc1ccccc1
InChIInChI=1S/C12H18N2O2/c13-11(6-7-12(14)15)9-16-8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H2,14,15)/t11-/m0/s1
InChIKeyYFDWRCHNSPTCQG-NSHDSACASA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds7

About (4S)-4-amino-5-phenylmethoxypentanamide

(4S)-4-amino-5-phenylmethoxypentanamide (PubChem CID 90463454) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (4S)-4-amino-5-phenylmethoxypentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-phenylmethoxypentanamide
PubChem CID90463454
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(4S)-4-amino-5-phenylmethoxypentanamide
SMILESNC(=O)CC[C@H](N)COCc1ccccc1
InChIInChI=1S/C12H18N2O2/c13-11(6-7-12(14)15)9-16-8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H2,14,15)/t11-/m0/s1
InChIKeyYFDWRCHNSPTCQG-NSHDSACASA-N
XLogP0.80
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (4S)-4-amino-5-phenylmethoxypentanoate
CID 146536432
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2S)-2-amino-3-phenylmethoxypropane-1-thiol
CID 87876386
methyl (3S)-3-amino-4-phenylmethoxybutanoate;hydrochloride
CID 67998622
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
CID 11447576
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-phenylmethoxypentanamide?
The IUPAC name of (4S)-4-amino-5-phenylmethoxypentanamide (CID 90463454) is (4S)-4-amino-5-phenylmethoxypentanamide.
What is the SMILES notation for (4S)-4-amino-5-phenylmethoxypentanamide?
The canonical SMILES for (4S)-4-amino-5-phenylmethoxypentanamide is NC(=O)CC[C@H](N)COCc1ccccc1.
What is the InChIKey of (4S)-4-amino-5-phenylmethoxypentanamide?
The InChIKey is YFDWRCHNSPTCQG-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2/c13-11(6-7-12(14)15)9-16-8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H2,14,15)/t11-/m0/s1.
What are the key properties of (4S)-4-amino-5-phenylmethoxypentanamide?
(4S)-4-amino-5-phenylmethoxypentanamide has a molecular weight of 222.29 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-phenylmethoxypentanamide is sourced from PubChem (CID 90463454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).