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

C10H18N2O4 — CID 81079737

IUPAC(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(CN)CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(4-11)2-9(14)12-5-7(13)3-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)/t6?,7-,8-/m1/s1
InChIKeyLZROWHZAABFRFJ-SPDVFEMOSA-N
MW230.26 g/mol
LogP-0.98
Rot. Bonds4

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

(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 81079737) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID81079737
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(CN)CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(4-11)2-9(14)12-5-7(13)3-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)/t6?,7-,8-/m1/s1
InChIKeyLZROWHZAABFRFJ-SPDVFEMOSA-N
XLogP-0.98
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81086839
(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103156006
(2S,4R)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079611
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842673
(2S)-4-hydroxy-1-(2-propan-2-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 61152101
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4R)-1-(3-amino-2-methoxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106112905
4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157499

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 81079737) is (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(CN)CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is LZROWHZAABFRFJ-SPDVFEMOSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(4-11)2-9(14)12-5-7(13)3-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)/t6?,7-,8-/m1/s1.
What are the key properties of (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81079737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).