2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid

C10H19N3O4 — CID 63065381

IUPAC2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H19N3O4/c1-6(2)4-13(5-8(14)15)7(3)9(16)12-10(11)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H3,11,12,16,17)
InChIKeyAOVMFGFWLROGJW-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.39
Rot. Bonds6

About 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid

2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065381) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065381
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H19N3O4/c1-6(2)4-13(5-8(14)15)7(3)9(16)12-10(11)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H3,11,12,16,17)
InChIKeyAOVMFGFWLROGJW-UHFFFAOYSA-N
XLogP-0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968906
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[bis(2-methylpropyl)amino]propanehydrazide
CID 63585398
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79282980
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
CID 65064339

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid (CID 63065381) is 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(C)C(=O)NC(N)=O.
What is the InChIKey of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is AOVMFGFWLROGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(2)4-13(5-8(14)15)7(3)9(16)12-10(11)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H3,11,12,16,17).
What are the key properties of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).