2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate

C10H22N2O2 — CID 139681724

IUPAC2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate
SMILESCCC(C)(N)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-10(4,12)14-9(13)8(11)6-7(2)3/h7-8H,5-6,11-12H2,1-4H3/t8-,10?/m0/s1
InChIKeySENLPDVLVKHHDI-PEHGTWAWSA-N
MW202.30 g/mol
LogP0.99
Rot. Bonds5

About 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate

2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate (PubChem CID 139681724) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate
PubChem CID139681724
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate
SMILESCCC(C)(N)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-10(4,12)14-9(13)8(11)6-7(2)3/h7-8H,5-6,11-12H2,1-4H3/t8-,10?/m0/s1
InChIKeySENLPDVLVKHHDI-PEHGTWAWSA-N
XLogP0.99
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
CID 139681730
(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
CID 139681751
2-aminobutan-2-yl (2S)-2,6-diaminohexanoate
CID 139681735
2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid
CID 90956305
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326

Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate?
The IUPAC name of 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate (CID 139681724) is 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate is CCC(C)(N)OC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate?
The InChIKey is SENLPDVLVKHHDI-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-10(4,12)14-9(13)8(11)6-7(2)3/h7-8H,5-6,11-12H2,1-4H3/t8-,10?/m0/s1.
What are the key properties of 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate?
2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate has a molecular weight of 202.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 139681724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).