2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid

C14H27N3O2 — CID 63907433

IUPAC2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN1CCN(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-11(2)15-14(13(18)19,12-4-5-12)10-17-8-6-16(3)7-9-17/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyDREUVVYSARRNDZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.47
Rot. Bonds6

About 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid

2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid (PubChem CID 63907433) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
PubChem CID63907433
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN1CCN(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-11(2)15-14(13(18)19,12-4-5-12)10-17-8-6-16(3)7-9-17/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyDREUVVYSARRNDZ-UHFFFAOYSA-N
XLogP0.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide
CID 63908270
2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63925992
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63927047
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 113418666
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63910337
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpiperazin-1-yl)propanoate
CID 63907855
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid (CID 63907433) is 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid is CC(C)NC(CN1CCN(C)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid?
The InChIKey is DREUVVYSARRNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)15-14(13(18)19,12-4-5-12)10-17-8-6-16(3)7-9-17/h11-12,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid?
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63907433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).