4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid

C10H20N2O2 — CID 63027479

IUPAC4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
SMILESCCN(CCC(NC)C(=O)O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-3-12(8-4-5-8)7-6-9(11-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLVDHMIASYYPDBG-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds7

About 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid

4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid (PubChem CID 63027479) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
PubChem CID63027479
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
SMILESCCN(CCC(NC)C(=O)O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-3-12(8-4-5-8)7-6-9(11-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLVDHMIASYYPDBG-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63029791
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
CID 55145476
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
CID 63029021
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2S)-2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 103814330
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid (CID 63027479) is 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid is CCN(CCC(NC)C(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid?
The InChIKey is LVDHMIASYYPDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-12(8-4-5-8)7-6-9(11-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid?
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid is sourced from PubChem (CID 63027479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).