2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid

C10H18N2O5 — CID 87642891

IUPAC2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid
SMILESCC(=O)C(NCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O5/c1-6(13)8(11-5-7(14)15)12-9(16)17-10(2,3)4/h8,11H,5H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyHQPXKEZFCVAZDK-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds5

About 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid

2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid (PubChem CID 87642891) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid
PubChem CID87642891
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid
SMILESCC(=O)C(NCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O5/c1-6(13)8(11-5-7(14)15)12-9(16)17-10(2,3)4/h8,11H,5H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyHQPXKEZFCVAZDK-UHFFFAOYSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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 ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
CID 87341796
(3S)-4-(carboxymethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 15200226
(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
CID 178200147
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoic acid
CID 18631504
2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
CID 153047675
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoic acid
CID 150578489
2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
CID 22025867
ethane;methane;2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetic acid
CID 172608163
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
2-(butan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143350838
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride
CID 167732107

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid (CID 87642891) is 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid is CC(=O)C(NCC(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid?
The InChIKey is HQPXKEZFCVAZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(13)8(11-5-7(14)15)12-9(16)17-10(2,3)4/h8,11H,5H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid?
2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid is sourced from PubChem (CID 87642891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).