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

C10H18N2O5 — CID 107566492

IUPAC(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)C(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-5-7(8(13)14)12-10(16)11-6(2)9(15)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,16)/t6?,7-/m0/s1
InChIKeyPAIGPOQPBMWWJH-MLWJPKLSSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds6

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

(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid (PubChem CID 107566492) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
PubChem CID107566492
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)C(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-5-7(8(13)14)12-10(16)11-6(2)9(15)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,16)/t6?,7-/m0/s1
InChIKeyPAIGPOQPBMWWJH-MLWJPKLSSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 80757457
2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 54960068
(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
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid
CID 61499191
(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
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid (CID 107566492) is (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NC(C)C(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid?
The InChIKey is PAIGPOQPBMWWJH-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-4-5-7(8(13)14)12-10(16)11-6(2)9(15)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,16)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid?
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).