2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C20H37N3O4 — CID 122010997

IUPAC2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NC2CCCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C20H37N3O4/c1-20(2,3)15-6-5-7-16(9-8-15)21-19(26)23-10-11-27-17(13-23)12-22(4)14-18(24)25/h15-17H,5-14H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyZXUJKULZZNEPGR-UHFFFAOYSA-N
MW383.53 g/mol
LogP2.41
Rot. Bonds5

About 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122010997) has the molecular formula C20H37N3O4 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122010997
Molecular FormulaC20H37N3O4
Molecular Weight383.53 g/mol
Exact Mass383.28
IUPAC Name2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NC2CCCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C20H37N3O4/c1-20(2,3)15-6-5-7-16(9-8-15)21-19(26)23-10-11-27-17(13-23)12-22(4)14-18(24)25/h15-17H,5-14H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyZXUJKULZZNEPGR-UHFFFAOYSA-N
XLogP2.41
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[4-[(3-methyl-3-phenylcyclobutyl)carbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122013142
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
CID 129330732
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122012720
2-[[4-[(4,4-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122008099
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122007160
2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122006958
2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122012595
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476565
1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid
CID 122010992

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122010997) is 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C(=O)NC2CCCC(C(C)(C)C)CC2)CCO1.
What is the InChIKey of 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is ZXUJKULZZNEPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O4/c1-20(2,3)15-6-5-7-16(9-8-15)21-19(26)23-10-11-27-17(13-23)12-22(4)14-18(24)25/h15-17H,5-14H2,1-4H3,(H,21,26)(H,24,25).
What are the key properties of 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 383.53 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122010997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).