1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

C10H19N3O3 — CID 60952757

IUPAC1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(N)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C10H19N3O3/c1-5(2)8(11)10(16)13-4-6(14)3-7(13)9(12)15/h5-8,14H,3-4,11H2,1-2H3,(H2,12,15)
InChIKeyBNLFUNSTBHTISG-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.58
Rot. Bonds3

About 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 60952757) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID60952757
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(N)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C10H19N3O3/c1-5(2)8(11)10(16)13-4-6(14)3-7(13)9(12)15/h5-8,14H,3-4,11H2,1-2H3,(H2,12,15)
InChIKeyBNLFUNSTBHTISG-UHFFFAOYSA-N
XLogP-1.58
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4R)-1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 154984807
1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65227708
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid
CID 64896319
1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 65269624
1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one
CID 166119362
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (CID 60952757) is 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide is CC(C)C(N)C(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is BNLFUNSTBHTISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-5(2)8(11)10(16)13-4-6(14)3-7(13)9(12)15/h5-8,14H,3-4,11H2,1-2H3,(H2,12,15).
What are the key properties of 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 60952757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).