N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide

C9H19N3O3 — CID 106175532

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide
SMILESCCCC(CN)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H19N3O3/c1-2-3-6(4-10)9(15)12-5-7(13)8(11)14/h6-7,13H,2-5,10H2,1H3,(H2,11,14)(H,12,15)
InChIKeyBIAJOZYMBVSVOR-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.68
Rot. Bonds7

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide (PubChem CID 106175532) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide
PubChem CID106175532
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide
SMILESCCCC(CN)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H19N3O3/c1-2-3-6(4-10)9(15)12-5-7(13)8(11)14/h6-7,13H,2-5,10H2,1H3,(H2,11,14)(H,12,15)
InChIKeyBIAJOZYMBVSVOR-UHFFFAOYSA-N
XLogP-1.68
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 114167201
(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422
methyl 2-(aminomethyl)pentanoate
CID 65220226
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
CID 114140198

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide (CID 106175532) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide is CCCC(CN)C(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide?
The InChIKey is BIAJOZYMBVSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-2-3-6(4-10)9(15)12-5-7(13)8(11)14/h6-7,13H,2-5,10H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide has a molecular weight of 217.27 g/mol, XLogP of -1.68, 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)-2-(aminomethyl)pentanamide is sourced from PubChem (CID 106175532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).