(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid

C18H26N2O4 — CID 120615247

IUPAC(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CN(Cc2ccccc2)CCO1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-2-3-9-15(18(22)23)19-17(21)16-13-20(10-11-24-16)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3,(H,19,21)(H,22,23)/t15-,16?/m0/s1
InChIKeyBHXMKIRPNISBKV-VYRBHSGPSA-N
MW334.42 g/mol
LogP1.65
Rot. Bonds8

About (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid

(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid (PubChem CID 120615247) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
PubChem CID120615247
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CN(Cc2ccccc2)CCO1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-2-3-9-15(18(22)23)19-17(21)16-13-20(10-11-24-16)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3,(H,19,21)(H,22,23)/t15-,16?/m0/s1
InChIKeyBHXMKIRPNISBKV-VYRBHSGPSA-N
XLogP1.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
4-benzyl-N-[1-(furan-2-yl)propan-2-yl]morpholine-2-carboxamide
CID 75373190
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
CID 120614385
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
(2S)-4-benzyl-N-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]morpholine-2-carboxamide
CID 96536863
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid (CID 120615247) is (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)C1CN(Cc2ccccc2)CCO1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid?
The InChIKey is BHXMKIRPNISBKV-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-3-9-15(18(22)23)19-17(21)16-13-20(10-11-24-16)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3,(H,19,21)(H,22,23)/t15-,16?/m0/s1.
What are the key properties of (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid?
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120615247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).