2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide

C11H24N2O3 — CID 59115752

IUPAC2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide
SMILESCCC(C)C(O)[C@H](O)NCC(=O)NC(C)C
InChIInChI=1S/C11H24N2O3/c1-5-8(4)10(15)11(16)12-6-9(14)13-7(2)3/h7-8,10-12,15-16H,5-6H2,1-4H3,(H,13,14)/t8?,10?,11-/m0/s1
InChIKeyNZQFZLGNUKHAJX-RFBVYIQQSA-N
MW232.32 g/mol
LogP-0.17
Rot. Bonds7

About 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide

2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide (PubChem CID 59115752) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide
PubChem CID59115752
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide
SMILESCCC(C)C(O)[C@H](O)NCC(=O)NC(C)C
InChIInChI=1S/C11H24N2O3/c1-5-8(4)10(15)11(16)12-6-9(14)13-7(2)3/h7-8,10-12,15-16H,5-6H2,1-4H3,(H,13,14)/t8?,10?,11-/m0/s1
InChIKeyNZQFZLGNUKHAJX-RFBVYIQQSA-N
XLogP-0.17
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
CID 21016265
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
CID 61157730
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253
N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
CID 61463687
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide (CID 59115752) is 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide is CCC(C)C(O)[C@H](O)NCC(=O)NC(C)C.
What is the InChIKey of 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide?
The InChIKey is NZQFZLGNUKHAJX-RFBVYIQQSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-5-8(4)10(15)11(16)12-6-9(14)13-7(2)3/h7-8,10-12,15-16H,5-6H2,1-4H3,(H,13,14)/t8?,10?,11-/m0/s1.
What are the key properties of 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide?
2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide has a molecular weight of 232.32 g/mol, XLogP of -0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 59115752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).