3-[3-(prop-2-enoylamino)propylamino]propanoic acid

C9H16N2O3 — CID 150604505

IUPAC3-[3-(prop-2-enoylamino)propylamino]propanoic acid
SMILESC=CC(=O)NCCCNCCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-8(12)11-6-3-5-10-7-4-9(13)14/h2,10H,1,3-7H2,(H,11,12)(H,13,14)
InChIKeyISOVAHDCMDPEDJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.26
Rot. Bonds8

About 3-[3-(prop-2-enoylamino)propylamino]propanoic acid

3-[3-(prop-2-enoylamino)propylamino]propanoic acid (PubChem CID 150604505) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[3-(prop-2-enoylamino)propylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(prop-2-enoylamino)propylamino]propanoic acid
PubChem CID150604505
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[3-(prop-2-enoylamino)propylamino]propanoic acid
SMILESC=CC(=O)NCCCNCCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-8(12)11-6-3-5-10-7-4-9(13)14/h2,10H,1,3-7H2,(H,11,12)(H,13,14)
InChIKeyISOVAHDCMDPEDJ-UHFFFAOYSA-N
XLogP-0.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoic acid
CID 44380140
Sodium 3-(prop-2-enamido)propanoate
CID 71756743
Poly(carboxybetaine acrylamide)
CID 12851415
N-acryloyl-beta-alanine
CID 324231
3-[(3-Acrylamidopropyl)dimethylammonio]propanoate, inverted exclamation markO95%
CID 12851416
2-Carboxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 12851418
3-[(3-Acrylamidopropyl)dimethylammonium] propanoate
CID 169093048
(E)-3-(3-Bromoacrylamido)propanoic acid
CID 73441698
Acrylamidomethylmalonamic Acid
CID 20563131
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium acetate
CID 21902279
3-(Ethylamino)propanamide;prop-2-enoic acid
CID 22182171
3-[[(E)-but-2-enoyl]amino]propanoic acid
CID 24706280

Frequently Asked Questions

What is the IUPAC name of 3-[3-(prop-2-enoylamino)propylamino]propanoic acid?
The IUPAC name of 3-[3-(prop-2-enoylamino)propylamino]propanoic acid (CID 150604505) is 3-[3-(prop-2-enoylamino)propylamino]propanoic acid.
What is the SMILES notation for 3-[3-(prop-2-enoylamino)propylamino]propanoic acid?
The canonical SMILES for 3-[3-(prop-2-enoylamino)propylamino]propanoic acid is C=CC(=O)NCCCNCCC(=O)O.
What is the InChIKey of 3-[3-(prop-2-enoylamino)propylamino]propanoic acid?
The InChIKey is ISOVAHDCMDPEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-8(12)11-6-3-5-10-7-4-9(13)14/h2,10H,1,3-7H2,(H,11,12)(H,13,14).
What are the key properties of 3-[3-(prop-2-enoylamino)propylamino]propanoic acid?
3-[3-(prop-2-enoylamino)propylamino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(prop-2-enoylamino)propylamino]propanoic acid is sourced from PubChem (CID 150604505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).