(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid

C14H26N2O3 — CID 106974844

IUPAC(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)N[C@H](C(=O)O)C(C)(C)C)CCCN1
InChIInChI=1S/C14H26N2O3/c1-5-7-14(8-6-9-15-14)12(19)16-10(11(17)18)13(2,3)4/h10,15H,5-9H2,1-4H3,(H,16,19)(H,17,18)/t10-,14?/m1/s1
InChIKeyFCZNQNYNASZGCS-IAPIXIRKSA-N
MW270.37 g/mol
LogP1.52
Rot. Bonds5

About (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid

(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid (PubChem CID 106974844) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
PubChem CID106974844
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)N[C@H](C(=O)O)C(C)(C)C)CCCN1
InChIInChI=1S/C14H26N2O3/c1-5-7-14(8-6-9-15-14)12(19)16-10(11(17)18)13(2,3)4/h10,15H,5-9H2,1-4H3,(H,16,19)(H,17,18)/t10-,14?/m1/s1
InChIKeyFCZNQNYNASZGCS-IAPIXIRKSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Diprotin A
CID 94701
L-Valyl-L-prolyl-L-leucine
CID 146208
L-Prolyl-L-valine
CID 152307
Pro-val
CID 142984
Pro-Leu
CID 444109
Prolyl-leucyl-glycine
CID 169533
Pro-Ile
CID 7079601
2-[[1-(2-Amino-3-methyl-pentanoyl)pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid
CID 3107
5-Oxo-L-prolyl-L-valine
CID 152416
Pyroglutamylleucine
CID 152417
(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidine-2-carbonyl]amino]hexanoic acid
CID 127036032
N-((1-aminocyclopentyl)carbonyl)alanine
CID 4649050

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid (CID 106974844) is (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid is CCCC1(C(=O)N[C@H](C(=O)O)C(C)(C)C)CCCN1.
What is the InChIKey of (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid?
The InChIKey is FCZNQNYNASZGCS-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-7-14(8-6-9-15-14)12(19)16-10(11(17)18)13(2,3)4/h10,15H,5-9H2,1-4H3,(H,16,19)(H,17,18)/t10-,14?/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid?
(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 106974844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).