(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid

C11H20N2O3 — CID 51420775

IUPAC(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@@H](NC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-8(2)9(10(14)15)12-11(16)13-6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9+/m0/s1
InChIKeyKTOQGKOUGRAJPY-DTWKUNHWSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

About (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid

(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid (PubChem CID 51420775) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
PubChem CID51420775
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@@H](NC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-8(2)9(10(14)15)12-11(16)13-6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9+/m0/s1
InChIKeyKTOQGKOUGRAJPY-DTWKUNHWSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2-ureido-pentanoic acid
CID 458590
(S)-3-Methyl-2-[(4-methyl-piperidine-1-carbonyl)-amino]-pentanoic acid
CID 16682089
(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid
CID 7530182
(S)-2-[(Azepane-1-carbonyl)-amino]-3-methyl-pentanoic acid
CID 12968579
(2S)-2-(carbamoylamino)-4-methylpentanoic acid
CID 832265
(S)-2-(3-isopropylureido)-4-methylpentanoic acid
CID 663650
(2S,3R)-2-(3-cyclopropylureido)-3-methylpentanoic acid
CID 663720
(S)-2-(3-Isopropyl-ureido)-3-methyl-pentanoic acid
CID 9550048
(2S)-2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
CID 664805
(R)-2-(3-Isobutyl-ureido)-4-methyl-pentanoic acid
CID 1854707
3-Methyl-2-ureido-pentanoic acid
CID 482886
Pro-Ile
CID 7079601

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid?
The IUPAC name of (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid (CID 51420775) is (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid?
The canonical SMILES for (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid is CC[C@H](C)[C@@H](NC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid?
The InChIKey is KTOQGKOUGRAJPY-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(2)9(10(14)15)12-11(16)13-6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid?
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid is sourced from PubChem (CID 51420775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).