ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate

C9H20N2O2 — CID 39869686

IUPACethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CN)CC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-13-9(12)11-8(6-10)5-7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyDMIHYDRZOKDMEP-QMMMGPOBSA-N
MW188.27 g/mol
LogP1.11
Rot. Bonds5

About ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate

ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate (PubChem CID 39869686) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
PubChem CID39869686
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CN)CC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-13-9(12)11-8(6-10)5-7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyDMIHYDRZOKDMEP-QMMMGPOBSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate
CID 42960435
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
ethyl N-[1-(diaminomethylideneamino)-4-methylpentan-2-yl]carbamate
CID 110927322
ethyl N-(1-chloro-5-methyl-2-oxohexan-3-yl)carbamate
CID 104700673
ethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 62314871
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate
CID 111069550
N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide
CID 77011072
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 111069549
ethyl N-[1-[[amino(diethylamino)methylidene]amino]-4-methylpentan-2-yl]carbamate;hydroiodide
CID 111069555
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate (CID 39869686) is ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate is CCOC(=O)N[C@H](CN)CC(C)C.
What is the InChIKey of ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate?
The InChIKey is DMIHYDRZOKDMEP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-13-9(12)11-8(6-10)5-7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate?
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 39869686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).