3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid

C11H20N2O3 — CID 103870481

IUPAC3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
SMILESCCC[C@H](N)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-2-3-8(12)11(16)13-9(6-10(14)15)7-4-5-7/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1
InChIKeyUGMVRGOCSPWSNI-IENPIDJESA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds7

About 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid

3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid (PubChem CID 103870481) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
PubChem CID103870481
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
SMILESCCC[C@H](N)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-2-3-8(12)11(16)13-9(6-10(14)15)7-4-5-7/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1
InChIKeyUGMVRGOCSPWSNI-IENPIDJESA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid (CID 103870481) is 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid is CCC[C@H](N)C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid?
The InChIKey is UGMVRGOCSPWSNI-IENPIDJESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-8(12)11(16)13-9(6-10(14)15)7-4-5-7/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1.
What are the key properties of 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid?
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 103870481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).