(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H24N2O5 — CID 61151966

IUPAC(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCCCC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2,3)13(21)15-6-4-5-11(18)16-8-9(17)7-10(16)12(19)20/h9-10,17H,4-8H2,1-3H3,(H,15,21)(H,19,20)/t9?,10-/m0/s1
InChIKeyLMHQNBZSXVFBLX-AXDSSHIGSA-N
MW300.35 g/mol
LogP-0.02
Rot. Bonds5

About (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61151966) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61151966
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCCCC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2,3)13(21)15-6-4-5-11(18)16-8-9(17)7-10(16)12(19)20/h9-10,17H,4-8H2,1-3H3,(H,15,21)(H,19,20)/t9?,10-/m0/s1
InChIKeyLMHQNBZSXVFBLX-AXDSSHIGSA-N
XLogP-0.02
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-hydroxy-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 64712518
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 3925551
(2S)-4-hydroxy-1-icosanoylpyrrolidine-2-carboxylic acid
CID 57258190
1-docosanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78122778
(2S,4R)-4-hydroxy-1-octadecanoylpyrrolidine-2-carboxylic acid;methanol
CID 175485111
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036
4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157499
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
(2S)-4-hydroxy-1-(3-methoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61196712
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 61151966) is (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(C)(C)C(=O)NCCCC(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is LMHQNBZSXVFBLX-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)13(21)15-6-4-5-11(18)16-8-9(17)7-10(16)12(19)20/h9-10,17H,4-8H2,1-3H3,(H,15,21)(H,19,20)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 300.35 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).