2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid

C9H17NO3 — CID 103244093

IUPAC2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC1CC1(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2)4-7(9)10-6(5-13-3)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyLOCYIZYJCXHINW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.47
Rot. Bonds5

About 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid

2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid (PubChem CID 103244093) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
PubChem CID103244093
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC1CC1(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2)4-7(9)10-6(5-13-3)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyLOCYIZYJCXHINW-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
CID 103263977
2-[(1,1-dioxothian-4-yl)amino]-3-methoxypropanoic acid
CID 103239254
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid
CID 103254755
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81115148
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883
(2R)-2-(carbonochloridoylamino)-3-methoxypropanoic acid
CID 131230342
(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755976
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid (CID 103244093) is 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid is COCC(NC1CC1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid?
The InChIKey is LOCYIZYJCXHINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2)4-7(9)10-6(5-13-3)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid?
2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103244093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).