3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid

C11H19NO4 — CID 60828271

IUPAC3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid
SMILESCC(C)COC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-8(2)7-16-11(15)12(9-3-4-9)6-5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyPBTRHKJELVFLIG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds6

About 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid

3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid (PubChem CID 60828271) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid
PubChem CID60828271
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid
SMILESCC(C)COC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-8(2)7-16-11(15)12(9-3-4-9)6-5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyPBTRHKJELVFLIG-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
3-(((Tert-butoxy)carbonyl)(cyclopropylmethyl)amino)propanoic acid
CID 125511844
3-[Cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
CID 61169425
Methyl 3-[(ethoxycarbonyl)(propan-2-yl)amino]-2-methylpropanoate
CID 243301
3-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acid
CID 22397313
Ethyl 3-(t-butoxycarbonylcyclopropyl-amino)propionate
CID 22397321
3-[Ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
3-[(Butan-2-yl)[(t-butoxy)carbonyl]amino]propanoic acid
CID 42695541
3-[Ethoxycarbonyl(ethyl)amino]butanoic acid
CID 62827074
3-[Butoxycarbonyl(2-carboxyethyl)amino]propanoic acid
CID 88247238
Methyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate
CID 118454113
(3S)-3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 121435026

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid (CID 60828271) is 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid is CC(C)COC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid?
The InChIKey is PBTRHKJELVFLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)7-16-11(15)12(9-3-4-9)6-5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid?
3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid is sourced from PubChem (CID 60828271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).