2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid

C14H25N3O3 — CID 79801744

IUPAC2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCN(CC2CC2)CC1)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-3-14(2,12(18)19)15-13(20)17-8-6-16(7-9-17)10-11-4-5-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyRESSCNVVUQAAON-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds5

About 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid

2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid (PubChem CID 79801744) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid
PubChem CID79801744
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCN(CC2CC2)CC1)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-3-14(2,12(18)19)15-13(20)17-8-6-16(7-9-17)10-11-4-5-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyRESSCNVVUQAAON-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61442901
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801848
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 120849271
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 120849270
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867
(2S)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]hexanoic acid
CID 107145663
2-[[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65223636
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
CID 78976051

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid (CID 79801744) is 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N1CCN(CC2CC2)CC1)C(=O)O.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid?
The InChIKey is RESSCNVVUQAAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-14(2,12(18)19)15-13(20)17-8-6-16(7-9-17)10-11-4-5-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid?
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79801744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).