N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide

C10H22N2O3 — CID 76892935

IUPACN-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC(O)CO
InChIInChI=1S/C10H22N2O3/c1-3-8(2)12-10(15)4-5-11-6-9(14)7-13/h8-9,11,13-14H,3-7H2,1-2H3,(H,12,15)
InChIKeyXSKLHXDAVARKMP-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.77
Rot. Bonds8

About N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide

N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide (PubChem CID 76892935) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
PubChem CID76892935
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC(O)CO
InChIInChI=1S/C10H22N2O3/c1-3-8(2)12-10(15)4-5-11-6-9(14)7-13/h8-9,11,13-14H,3-7H2,1-2H3,(H,12,15)
InChIKeyXSKLHXDAVARKMP-UHFFFAOYSA-N
XLogP-0.77
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.77
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-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
CID 106989516
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
CID 77028304
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
CID 54901013
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
CID 103817602
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
CID 77030584

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide (CID 76892935) is N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide is CCC(C)NC(=O)CCNCC(O)CO.
What is the InChIKey of N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide?
The InChIKey is XSKLHXDAVARKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-8(2)12-10(15)4-5-11-6-9(14)7-13/h8-9,11,13-14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide?
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide has a molecular weight of 218.30 g/mol, XLogP of -0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide is sourced from PubChem (CID 76892935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).