(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H18N2O4 — CID 79000057

IUPAC(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(N)CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,11)4-8(14)12-5-6(13)3-7(12)9(15)16/h6-7,13H,3-5,11H2,1-2H3,(H,15,16)/t6-,7-/m1/s1
InChIKeyQSGXMMMFXRRZSJ-RNFRBKRXSA-N
MW230.26 g/mol
LogP-0.84
Rot. Bonds3

About (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000057) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000057
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(N)CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,11)4-8(14)12-5-6(13)3-7(12)9(15)16/h6-7,13H,3-5,11H2,1-2H3,(H,15,16)/t6-,7-/m1/s1
InChIKeyQSGXMMMFXRRZSJ-RNFRBKRXSA-N
XLogP-0.84
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-1-(2-tert-butylsulfanylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778378
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2S,4S)-1-[4-(2-aminoethyl)-5,5-dimethylhexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714779
(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079737
(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106279083
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(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
(2S)-4-hydroxy-1-(2-propan-2-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 61152101

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000057) is (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(C)(N)CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QSGXMMMFXRRZSJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,11)4-8(14)12-5-6(13)3-7(12)9(15)16/h6-7,13H,3-5,11H2,1-2H3,(H,15,16)/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).