(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid

C18H26N2O4 — CID 120614385

IUPAC(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccccc1CN1CCOCC1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-2-3-8-16(18(22)23)19-17(21)15-7-5-4-6-14(15)13-20-9-11-24-12-10-20/h4-7,16H,2-3,8-13H2,1H3,(H,19,21)(H,22,23)/t16-/m0/s1
InChIKeySAWAHBISYXXCAG-INIZCTEOSA-N
MW334.42 g/mol
LogP1.89
Rot. Bonds8

About (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid

(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid (PubChem CID 120614385) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
PubChem CID120614385
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccccc1CN1CCOCC1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-2-3-8-16(18(22)23)19-17(21)15-7-5-4-6-14(15)13-20-9-11-24-12-10-20/h4-7,16H,2-3,8-13H2,1H3,(H,19,21)(H,22,23)/t16-/m0/s1
InChIKeySAWAHBISYXXCAG-INIZCTEOSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
CID 131887032
CID 131887032
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
(2S)-2-[[2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 120615522
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
(2S)-2-[(2-hexylbenzoyl)amino]-4-sulfobutanoic acid
CID 87371983
(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
CID 122044845
2-[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-4-yl]hexanoic acid;dihydrochloride
CID 142749275
(2R)-2-[(2-pentylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708966
(2S)-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]hexanoic acid
CID 120615508
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid (CID 120614385) is (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid is CCCC[C@H](NC(=O)c1ccccc1CN1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
The InChIKey is SAWAHBISYXXCAG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-3-8-16(18(22)23)19-17(21)15-7-5-4-6-14(15)13-20-9-11-24-12-10-20/h4-7,16H,2-3,8-13H2,1H3,(H,19,21)(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid is sourced from PubChem (CID 120614385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).