(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid

C14H26N2O3 — CID 79014111

IUPAC(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCCC1C(C)C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)8-11(13(17)18)15-14(19)16-7-5-6-12(16)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/t11-,12?/m1/s1
InChIKeyTXMTXDLVFUDXKK-JHJMLUEUSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid (PubChem CID 79014111) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
PubChem CID79014111
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCCC1C(C)C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)8-11(13(17)18)15-14(19)16-7-5-6-12(16)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/t11-,12?/m1/s1
InChIKeyTXMTXDLVFUDXKK-JHJMLUEUSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
(2S)-4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]pentanoic acid
CID 79931499
(2R)-3-(1H-imidazol-5-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 104895259
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
(2R)-2-[[2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoic acid
CID 67876270
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 139607955
(2R)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)-4-methylpentanoic acid
CID 79943683
2-[[1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18487785

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid (CID 79014111) is (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)N1CCCC1C(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is TXMTXDLVFUDXKK-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)8-11(13(17)18)15-14(19)16-7-5-6-12(16)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/t11-,12?/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 79014111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).