2-[[ethyl(propyl)carbamoyl]amino]acetic acid

C8H16N2O3 — CID 43445697

IUPAC2-[[ethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC)C(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-5-10(4-2)8(13)9-6-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyLXNIKRUXOSMOIF-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.51
Rot. Bonds5

About 2-[[ethyl(propyl)carbamoyl]amino]acetic acid

2-[[ethyl(propyl)carbamoyl]amino]acetic acid (PubChem CID 43445697) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[[ethyl(propyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(propyl)carbamoyl]amino]acetic acid
PubChem CID43445697
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[[ethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC)C(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-5-10(4-2)8(13)9-6-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyLXNIKRUXOSMOIF-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61443365
3-amino-1-ethyl-1-propylurea
CID 43269070
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
CID 141135639
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
2-(diethylcarbamoylamino)-N-propylacetamide
CID 115575868
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]acetic acid (CID 43445697) is 2-[[ethyl(propyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[ethyl(propyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[ethyl(propyl)carbamoyl]amino]acetic acid is CCCN(CC)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[ethyl(propyl)carbamoyl]amino]acetic acid?
The InChIKey is LXNIKRUXOSMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-5-10(4-2)8(13)9-6-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-[[ethyl(propyl)carbamoyl]amino]acetic acid?
2-[[ethyl(propyl)carbamoyl]amino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43445697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).