(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid

C10H19N3O5 — CID 113450673

IUPAC(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOC(C)(C)CNC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-10(2,18-3)5-12-9(17)13-6(8(15)16)4-7(11)14/h6H,4-5H2,1-3H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6-/m0/s1
InChIKeyPICKJFKEYAWFHP-LURJTMIESA-N
MW261.28 g/mol
LogP-0.96
Rot. Bonds7

About (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 113450673) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID113450673
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOC(C)(C)CNC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-10(2,18-3)5-12-9(17)13-6(8(15)16)4-7(11)14/h6H,4-5H2,1-3H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6-/m0/s1
InChIKeyPICKJFKEYAWFHP-LURJTMIESA-N
XLogP-0.96
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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)-4-amino-4-oxo-2-(2,2,3-trimethylbutylcarbamoylamino)butanoic acid
CID 114101316
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
CID 63859891
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307403
(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 63714734
4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 61197619
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoic acid
CID 30053119
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
4-amino-2-(2-methylsulfanylethylcarbamoylamino)-4-oxobutanoic acid
CID 63957476
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid (CID 113450673) is (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid is COC(C)(C)CNC(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is PICKJFKEYAWFHP-LURJTMIESA-N. The full InChI is InChI=1S/C10H19N3O5/c1-10(2,18-3)5-12-9(17)13-6(8(15)16)4-7(11)14/h6H,4-5H2,1-3H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -0.96, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 113450673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).