2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid

C11H21NO4 — CID 115002746

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCCN(C1CC1)C(C)(COC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-11(8-16-3,10(13)14)12(6-7-15-2)9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRMPCLIPGWABWQM-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.59
Rot. Bonds8

About 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid

2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 115002746) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID115002746
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCCN(C1CC1)C(C)(COC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-11(8-16-3,10(13)14)12(6-7-15-2)9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRMPCLIPGWABWQM-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methoxypropanoic acid
CID 103224692
O-acetyl serine betaine
CID 154824518
2-[Bis(2-ethoxyethyl)amino]-3-methoxypropanoic acid
CID 21873260
2-[Bis(2-methoxyethyl)amino]-3-methoxypropanoic acid
CID 21873269
2-[Bis(3-methoxypropyl)amino]-3-methoxypropanoic acid
CID 21873294
2-[Bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 22683494
(2S,3R)-3-acetyloxy-2-(ditert-butylamino)butanoic acid
CID 56618123
N,N-Diethyl-O-methyl-D-serine
CID 59166529
N,N-Diethyl-O-methyl-L-serine
CID 59166562
methyl (2R)-2-(diethylamino)-3-hydroxypropanoate
CID 59601606
2-[Bis(2-hydroperoxyethyl)amino]-3-hydroxy-2-methylpropanoic acid
CID 59937840
ethyl (2S)-2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate
CID 70362757

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid (CID 115002746) is 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid is COCCN(C1CC1)C(C)(COC)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is RMPCLIPGWABWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(8-16-3,10(13)14)12(6-7-15-2)9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115002746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).