2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid

C12H22N2O3 — CID 61186126

IUPAC2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
SMILESC=C(C)CN(CC)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-5-7-14(9-11(15)16)12(17)13(6-2)8-10(3)4/h3,5-9H2,1-2,4H3,(H,15,16)
InChIKeyJVDDHBVWYDPCCB-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.80
Rot. Bonds7

About 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid

2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid (PubChem CID 61186126) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
PubChem CID61186126
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
SMILESC=C(C)CN(CC)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-5-7-14(9-11(15)16)12(17)13(6-2)8-10(3)4/h3,5-9H2,1-2,4H3,(H,15,16)
InChIKeyJVDDHBVWYDPCCB-UHFFFAOYSA-N
XLogP1.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
CID 150716487
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
3-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61184887
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid (CID 61186126) is 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid is C=C(C)CN(CC)C(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid?
The InChIKey is JVDDHBVWYDPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-7-14(9-11(15)16)12(17)13(6-2)8-10(3)4/h3,5-9H2,1-2,4H3,(H,15,16).
What are the key properties of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid?
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 61186126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).