N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide

C8H17N3O3 — CID 106175507

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H17N3O3/c1-10-4-2-3-7(13)11-5-6(12)8(9)14/h6,10,12H,2-5H2,1H3,(H2,9,14)(H,11,13)
InChIKeyMRZUTHGOPOLDOD-UHFFFAOYSA-N
MW203.24 g/mol
LogP-2.05
Rot. Bonds7

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide (PubChem CID 106175507) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
PubChem CID106175507
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H17N3O3/c1-10-4-2-3-7(13)11-5-6(12)8(9)14/h6,10,12H,2-5H2,1H3,(H2,9,14)(H,11,13)
InChIKeyMRZUTHGOPOLDOD-UHFFFAOYSA-N
XLogP-2.05
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
CID 66168913
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-(methylamino)butanamide
CID 119792581
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
3-ethoxy-4-[4-(methylamino)butanoylamino]butanoic acid
CID 114227057
5-methyl-3-[[4-(methylamino)butanoylamino]methyl]hexanoic acid
CID 65494760
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide (CID 106175507) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide is CNCCCC(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide?
The InChIKey is MRZUTHGOPOLDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-10-4-2-3-7(13)11-5-6(12)8(9)14/h6,10,12H,2-5H2,1H3,(H2,9,14)(H,11,13).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide has a molecular weight of 203.24 g/mol, XLogP of -2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide is sourced from PubChem (CID 106175507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).