2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide

C10H18N2O4 — CID 107852454

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(CO)(CO)CO
InChIInChI=1S/C10H18N2O4/c1-3-4-11-9(16)8(2)12-10(5-13,6-14)7-15/h1,8,12-15H,4-7H2,2H3,(H,11,16)
InChIKeyBSANXDIHPKYOIF-UHFFFAOYSA-N
MW230.26 g/mol
LogP-2.57
Rot. Bonds7

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide (PubChem CID 107852454) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
PubChem CID107852454
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(CO)(CO)CO
InChIInChI=1S/C10H18N2O4/c1-3-4-11-9(16)8(2)12-10(5-13,6-14)7-15/h1,8,12-15H,4-7H2,2H3,(H,11,16)
InChIKeyBSANXDIHPKYOIF-UHFFFAOYSA-N
XLogP-2.57
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-2.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
CID 79249900
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
1-propan-2-yl-3-prop-2-ynylurea
CID 14344955
2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
CID 66107036
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
CID 107865308
N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82721631
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide (CID 107852454) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NC(CO)(CO)CO.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
The InChIKey is BSANXDIHPKYOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-4-11-9(16)8(2)12-10(5-13,6-14)7-15/h1,8,12-15H,4-7H2,2H3,(H,11,16).
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide has a molecular weight of 230.26 g/mol, XLogP of -2.57, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 107852454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).