(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide

C15H29N3O3 — CID 54544632

IUPAC(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C15H29N3O3/c1-9(2)11(8-19)17-14(20)12-6-5-7-18(12)15(21)13(16)10(3)4/h9-13,19H,5-8,16H2,1-4H3,(H,17,20)/t11-,12+,13+/m1/s1
InChIKeyZFQZKWJUDSFDPT-AGIUHOORSA-N
MW299.42 g/mol
LogP0.09
Rot. Bonds6

About (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 54544632) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID54544632
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C15H29N3O3/c1-9(2)11(8-19)17-14(20)12-6-5-7-18(12)15(21)13(16)10(3)4/h9-13,19H,5-8,16H2,1-4H3,(H,17,20)/t11-,12+,13+/m1/s1
InChIKeyZFQZKWJUDSFDPT-AGIUHOORSA-N
XLogP0.09
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide (CID 54544632) is (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide is CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZFQZKWJUDSFDPT-AGIUHOORSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-9(2)11(8-19)17-14(20)12-6-5-7-18(12)15(21)13(16)10(3)4/h9-13,19H,5-8,16H2,1-4H3,(H,17,20)/t11-,12+,13+/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54544632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).