aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate

C7H15N3O3 — CID 88729241

IUPACaminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CC[C@H](N)C(=O)OCN
InChIInChI=1S/C7H15N3O3/c1-10-6(11)3-2-5(9)7(12)13-4-8/h5H,2-4,8-9H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyUJFGYRPBOPGBMJ-YFKPBYRVSA-N
MW189.21 g/mol
LogP-1.70
Rot. Bonds5

About aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate

aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate (PubChem CID 88729241) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Nameaminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate
PubChem CID88729241
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Nameaminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CC[C@H](N)C(=O)OCN
InChIInChI=1S/C7H15N3O3/c1-10-6(11)3-2-5(9)7(12)13-4-8/h5H,2-4,8-9H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyUJFGYRPBOPGBMJ-YFKPBYRVSA-N
XLogP-1.70
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate 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

4-amino-N,5-dimethylhexanamide
CID 102537827
4-amino-N-methylhexanamide
CID 118906510
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
N',2-dimethylpentanediamide
CID 21268064
aminomethyl (2S)-2-aminopropanoate
CID 139681738
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl (2S)-2-amino-6-methyl-5-oxoheptanoate
CID 58666346
ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate
CID 72570963
3-(3-aminobutylsulfonyl)-N-methylpropanamide
CID 81193833
methyl [3-(methylamino)-3-oxopropyl] carbonate
CID 118406273
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
tert-butyl 2-amino-5-oxo-5-(sulfanylamino)pentanoate
CID 91125306

Frequently Asked Questions

What is the IUPAC name of aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate?
The IUPAC name of aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate (CID 88729241) is aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate.
What is the SMILES notation for aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate?
The canonical SMILES for aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate is CNC(=O)CC[C@H](N)C(=O)OCN.
What is the InChIKey of aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate?
The InChIKey is UJFGYRPBOPGBMJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-10-6(11)3-2-5(9)7(12)13-4-8/h5H,2-4,8-9H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate?
aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate has a molecular weight of 189.21 g/mol, XLogP of -1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 88729241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).