(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride

C11H22ClN3O3 — CID 134306097

IUPAC(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
SMILESCC(C)NC(=O)C(O)[C@@H](N)C[C@@H]1CCNC1=O.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-6(2)14-11(17)9(15)8(12)5-7-3-4-13-10(7)16;/h6-9,15H,3-5,12H2,1-2H3,(H,13,16)(H,14,17);1H/t7-,8-,9?;/m0./s1
InChIKeyNPFUGACJAAEFPU-IWKQBAGXSA-N
MW279.77 g/mol
LogP-0.85
Rot. Bonds5

About (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride

(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride (PubChem CID 134306097) has the molecular formula C11H22ClN3O3 and a molecular weight of 279.77 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
PubChem CID134306097
Molecular FormulaC11H22ClN3O3
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
SMILESCC(C)NC(=O)C(O)[C@@H](N)C[C@@H]1CCNC1=O.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-6(2)14-11(17)9(15)8(12)5-7-3-4-13-10(7)16;/h6-9,15H,3-5,12H2,1-2H3,(H,13,16)(H,14,17);1H/t7-,8-,9?;/m0./s1
InChIKeyNPFUGACJAAEFPU-IWKQBAGXSA-N
XLogP-0.85
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 162695553
3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one
CID 168941870
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
[(3S)-3-amino-1-(cyclopropylamino)-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 171088245
(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175915034
methyl (2S)-2-(aminoiodanuidylmethyl)-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate
CID 162479060
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 176958856
(2S)-2-amino-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4-methylpentanamide
CID 155375812
methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride?
The IUPAC name of (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride (CID 134306097) is (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride?
The canonical SMILES for (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride is CC(C)NC(=O)C(O)[C@@H](N)C[C@@H]1CCNC1=O.Cl.
What is the InChIKey of (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride?
The InChIKey is NPFUGACJAAEFPU-IWKQBAGXSA-N. The full InChI is InChI=1S/C11H21N3O3.ClH/c1-6(2)14-11(17)9(15)8(12)5-7-3-4-13-10(7)16;/h6-9,15H,3-5,12H2,1-2H3,(H,13,16)(H,14,17);1H/t7-,8-,9?;/m0./s1.
What are the key properties of (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride?
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of -0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 134306097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).