2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid

C12H21N3O4 — CID 79071967

IUPAC2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
SMILESCN1CCOC(CNC(=O)NC(C(=O)O)C2CC2)C1
InChIInChI=1S/C12H21N3O4/c1-15-4-5-19-9(7-15)6-13-12(18)14-10(11(16)17)8-2-3-8/h8-10H,2-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyZHANVJYAVXGIBX-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.52
Rot. Bonds5

About 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid

2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid (PubChem CID 79071967) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
PubChem CID79071967
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
SMILESCN1CCOC(CNC(=O)NC(C(=O)O)C2CC2)C1
InChIInChI=1S/C12H21N3O4/c1-15-4-5-19-9(7-15)6-13-12(18)14-10(11(16)17)8-2-3-8/h8-10H,2-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyZHANVJYAVXGIBX-UHFFFAOYSA-N
XLogP-0.52
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 103928142
4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 79071157
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686787
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2-cyclopropyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]acetic acid
CID 62711409
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid (CID 79071967) is 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid is CN1CCOC(CNC(=O)NC(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid?
The InChIKey is ZHANVJYAVXGIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-15-4-5-19-9(7-15)6-13-12(18)14-10(11(16)17)8-2-3-8/h8-10H,2-7H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 79071967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).