(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid

C11H21N3O4 — CID 107566462

IUPAC(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-6-8(10(16)17)13-11(18)12-7(2)9(15)14(3)4/h7-8H,5-6H2,1-4H3,(H,16,17)(H2,12,13,18)/t7?,8-/m1/s1
InChIKeyYKJMOKPBEPHJFV-BRFYHDHCSA-N
MW259.31 g/mol
LogP0.02
Rot. Bonds6

About (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid

(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid (PubChem CID 107566462) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
PubChem CID107566462
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-6-8(10(16)17)13-11(18)12-7(2)9(15)14(3)4/h7-8H,5-6H2,1-4H3,(H,16,17)(H2,12,13,18)/t7?,8-/m1/s1
InChIKeyYKJMOKPBEPHJFV-BRFYHDHCSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid with MolForge

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Related Compounds

(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103112638
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid
CID 103112573
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-3-methylpentanoic acid
CID 61465815
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid (CID 107566462) is (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC(C)C(=O)N(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The InChIKey is YKJMOKPBEPHJFV-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-6-8(10(16)17)13-11(18)12-7(2)9(15)14(3)4/h7-8H,5-6H2,1-4H3,(H,16,17)(H2,12,13,18)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).