2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid

C11H19N3O4 — CID 63993771

IUPAC2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(CC1CC1)NC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(4-8-2-3-8)14-11(18)13-5-9(15)12-6-10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyFWWDZAOENBUQTL-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.32
Rot. Bonds7

About 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 63993771) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID63993771
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(CC1CC1)NC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(4-8-2-3-8)14-11(18)13-5-9(15)12-6-10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyFWWDZAOENBUQTL-UHFFFAOYSA-N
XLogP-0.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
CID 63994028
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562
(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 107840066
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
CID 61478804
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
1-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443063
4-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]benzoic acid
CID 63996546
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
3-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244224
2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61475979
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid (CID 63993771) is 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid is CC(CC1CC1)NC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is FWWDZAOENBUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(4-8-2-3-8)14-11(18)13-5-9(15)12-6-10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 63993771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).