(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid

C10H19N3O4 — CID 107566458

IUPAC(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)C(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-7(9(15)16)13-10(17)12-6(2)8(14)11-3/h6-7H,4-5H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m0/s1
InChIKeyHCBRMCQSGBXIBS-MLWJPKLSSA-N
MW245.28 g/mol
LogP-0.33
Rot. Bonds6

About (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid

(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid (PubChem CID 107566458) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
PubChem CID107566458
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)C(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-7(9(15)16)13-10(17)12-6(2)8(14)11-3/h6-7H,4-5H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m0/s1
InChIKeyHCBRMCQSGBXIBS-MLWJPKLSSA-N
XLogP-0.33
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107145683
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567522
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566462
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107826833
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103997677

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid (CID 107566458) is (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NC(C)C(=O)NC)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The InChIKey is HCBRMCQSGBXIBS-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-5-7(9(15)16)13-10(17)12-6(2)8(14)11-3/h6-7H,4-5H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).