2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid

C8H15N3O4 — CID 61011603

IUPAC2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid
SMILESCCN(CCC(=O)NC(N)=O)CC(=O)O
InChIInChI=1S/C8H15N3O4/c1-2-11(5-7(13)14)4-3-6(12)10-8(9)15/h2-5H2,1H3,(H,13,14)(H3,9,10,12,15)
InChIKeyUSJBAPKYUYIGTJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.02
Rot. Bonds6

About 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid

2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid (PubChem CID 61011603) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid
PubChem CID61011603
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid
SMILESCCN(CCC(=O)NC(N)=O)CC(=O)O
InChIInChI=1S/C8H15N3O4/c1-2-11(5-7(13)14)4-3-6(12)10-8(9)15/h2-5H2,1H3,(H,13,14)(H3,9,10,12,15)
InChIKeyUSJBAPKYUYIGTJ-UHFFFAOYSA-N
XLogP-1.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626788
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 107440146
bis(4-[bis(carboxymethyl)amino]butanoic acid);2-[2-[carboxymethyl(ethyl)amino]ethyl-ethylamino]acetic acid;ethanamine
CID 173160493
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
N-carbamoyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962463
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 61011883

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid (CID 61011603) is 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid is CCN(CCC(=O)NC(N)=O)CC(=O)O.
What is the InChIKey of 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid?
The InChIKey is USJBAPKYUYIGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-2-11(5-7(13)14)4-3-6(12)10-8(9)15/h2-5H2,1H3,(H,13,14)(H3,9,10,12,15).
What are the key properties of 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid?
2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid has a molecular weight of 217.22 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid is sourced from PubChem (CID 61011603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).