(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid

C10H19N3O5 — CID 107830456

IUPAC(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCOCC(C)NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-6(5-18-2)12-10(17)13-7(9(15)16)3-4-8(11)14/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1
InChIKeyJHTOTNCQDKUETF-COBSHVIPSA-N
MW261.28 g/mol
LogP-0.96
Rot. Bonds8

About (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107830456) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107830456
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCOCC(C)NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-6(5-18-2)12-10(17)13-7(9(15)16)3-4-8(11)14/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1
InChIKeyJHTOTNCQDKUETF-COBSHVIPSA-N
XLogP-0.96
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830928
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61471308
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
(2R)-5-amino-2-[(2-amino-3-methoxypropanoyl)amino]-5-oxopentanoic acid
CID 107830338
(2R)-5-amino-2-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107831147
(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
CID 107830111
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid
CID 107828090

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid (CID 107830456) is (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid is COCC(C)NC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is JHTOTNCQDKUETF-COBSHVIPSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-6(5-18-2)12-10(17)13-7(9(15)16)3-4-8(11)14/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 261.28 g/mol, XLogP of -0.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).