3,4-dihydroxy-1-(pentylamino)pentan-2-one

C10H21NO3 — CID 174828129

IUPAC3,4-dihydroxy-1-(pentylamino)pentan-2-one
SMILESCCCCCNCC(=O)C(O)C(C)O
InChIInChI=1S/C10H21NO3/c1-3-4-5-6-11-7-9(13)10(14)8(2)12/h8,10-12,14H,3-7H2,1-2H3
InChIKeyQHYFTBUHYZCLPZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.08
Rot. Bonds8

About 3,4-dihydroxy-1-(pentylamino)pentan-2-one

3,4-dihydroxy-1-(pentylamino)pentan-2-one (PubChem CID 174828129) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3,4-dihydroxy-1-(pentylamino)pentan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-1-(pentylamino)pentan-2-one
PubChem CID174828129
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3,4-dihydroxy-1-(pentylamino)pentan-2-one
SMILESCCCCCNCC(=O)C(O)C(C)O
InChIInChI=1S/C10H21NO3/c1-3-4-5-6-11-7-9(13)10(14)8(2)12/h8,10-12,14H,3-7H2,1-2H3
InChIKeyQHYFTBUHYZCLPZ-UHFFFAOYSA-N
XLogP0.08
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hexylamino)-2-methyl-3-oxobutanoic acid
CID 141363950
3,8-dihydroxy-1-(pentylamino)octan-2-one
CID 174714877
N-pentyl-2-(pentylamino)acetamide
CID 109005932
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
(2S,3R)-2,3-dihydroxydodecane-4,7-dione
CID 162894988
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
1-(pentylamino)propan-2-ol
CID 3016247
2-aminopropanoic acid;N-pentylpentan-1-amine
CID 174916137
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
copper(1+);2-(octylamino)acetate
CID 21278666
N-ethyl-2-(pentylamino)acetamide
CID 28569032
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-(pentylamino)pentan-2-one?
The IUPAC name of 3,4-dihydroxy-1-(pentylamino)pentan-2-one (CID 174828129) is 3,4-dihydroxy-1-(pentylamino)pentan-2-one.
What is the SMILES notation for 3,4-dihydroxy-1-(pentylamino)pentan-2-one?
The canonical SMILES for 3,4-dihydroxy-1-(pentylamino)pentan-2-one is CCCCCNCC(=O)C(O)C(C)O.
What is the InChIKey of 3,4-dihydroxy-1-(pentylamino)pentan-2-one?
The InChIKey is QHYFTBUHYZCLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-5-6-11-7-9(13)10(14)8(2)12/h8,10-12,14H,3-7H2,1-2H3.
What are the key properties of 3,4-dihydroxy-1-(pentylamino)pentan-2-one?
3,4-dihydroxy-1-(pentylamino)pentan-2-one has a molecular weight of 203.28 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-(pentylamino)pentan-2-one is sourced from PubChem (CID 174828129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).